Via dissipative particle dynamics (DPD), we simulate the self-assembly
of end-functionalized, amphiphilic nanotubes and lipids in a hydrophilic
solvent. Each nanotube encompasses a hydrophobic stalk and two
hydrophilic ends, which are functionalized with end-tethered chains.
With a relatively low number of the nanotubes in solution, the
components self-assemble into stable lipid-nanotube vesicles. As the
number of nanotubes is increased, the system exhibits a vesicle-to-
bicelle transition, resulting in stable hybrid bicelle. Moreover, our
results reveal that the nanotubes cluster into distinct tripod-like
structures within the vesicles and aggregate into a ring-like assembly
within the bicelles. For both the vesicles and bicelles, the nanotubes
assume trans-membrane orientations, with the tethered hairs extending
into the surrounding solution or the encapsulated fluid. Thus, the hairs
provide a means of regulating the transport of species through the self-
assembled structures. Our findings provide guidelines for creating
nanotube clusters with distinctive morphologies that might be difficult
to achieve through more conventional means. The results also yield
design rules for creating synthetic cell-like objects or microreactors
that can exhibit biomimetic functionality.